Sugi Predict

Sugi Predict / Compounds / SCHEMBL4971983

SCHEMBL4971983

SCHEMBL4971983

C=C(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N1CCN(C(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 2/20 0.81
▸ CCR1 P32246 1/20 0.44
▸ PIN1 Q13526 3/20 0.40
▸ TAS1R3 Q7RTX0 2/20 0.39
▸ TAS1R1 Q7RTX1 2/20 0.39
▸ OPRM1 P35372 2/20 0.37
▸ CTSB P07858 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ F2 P00734 2/20 0.37
▸ CCR8 P51685 1/20 0.36
▸ ACKR3 P25106 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ ICMT O60725 1/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29353598 0.89 TRPV4 (1.00) TRPV4CCR1PIN1TAS1R3TAS1R1
SCHEMBL5004499 0.89 TRPV4 (1.00) TRPV4CCR1PIN1TAS1R3TAS1R1
SCHEMBL5007988 0.89 TRPV4 (1.00) TRPV4CCR1PIN1TAS1R3TAS1R1
SCHEMBL28218477 0.89 TRPV4 (1.00) TRPV4CCR1PIN1TAS1R3TAS1R1
SCHEMBL4971055 0.88 TRPV4 (0.94) TRPV4CCR1PIN1TAS1R3TAS1R1
SCHEMBL5007997 0.84 TRPV4 (0.84) TRPV4CCR1PIN1TAS1R3TAS1R1
SCHEMBL5007170 0.84 TRPV4 (0.89) TRPV4CCR1PIN1TAS1R3TAS1R1
SCHEMBL5004501 0.83 TRPV4 (0.72) TRPV4CCR1OPRM1CCR8ACKR3
SCHEMBL5004275 0.82 TRPV4 (0.87) TRPV4CCR1PIN1TAS1R3TAS1R1
SCHEMBL8004111 0.81 TRPV4 (0.70) TRPV4CCR1PIN1TAS1R3TAS1R1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318945-A1 Novel Compounds CASILLAS LINDA N 2008-12-25 — — US claimed
EP-1968590-A2 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2008-09-17 — — EP claimed
WO-2007070865-A2 PIPERAZINE COMPOUNDS AS AGONISTS OF TRPV4 CHANNEL RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-21 — — WO claimed
US-20080318945-A1 Novel Compounds CASILLAS LINDA N 2008-12-25 — — US disclosed
US-20080318945-A1 Novel Compounds CASILLAS LINDA N 2008-12-25 — — US disclosed
US-20080318945-A1 Novel Compounds CASILLAS LINDA N 2008-12-25 — — US disclosed
EP-1968590-A2 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2008-09-17 — — EP disclosed
WO-2007070865-A2 PIPERAZINE COMPOUNDS AS AGONISTS OF TRPV4 CHANNEL RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-21 — — WO disclosed
WO-2007070865-A2 PIPERAZINE COMPOUNDS AS AGONISTS OF TRPV4 CHANNEL RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-21 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080318945-A1 Novel Compounds TRPV4, TRPV1, TRPV3 TRPV4 1/4885CCR1 919/4885PIN1 2372/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.